Geometry & MOs

Info

ID:	157729
PubChem CID:	56436814
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	411.238273
ΔH_f, kcal/mol:	-70.28
Dipole, Da:	10.32
IP(EA), eV:	-9.38(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-(1-pyrazin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)C3=CC=C(C=C3)COC

DOS

IR

Vibrations